tris[2-(1-isopropyl-4-tert-butylimidazolyl)]phosphine | 160986-00-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tris[2-(1-isopropyl-4-tert-butylimidazolyl)]phosphine
• 英文别名: tris(1-isopropyl-4-tert-butyl-2-imidazolyl)phosphine；(4-tert-butyl-1-isopropylimidazolyl)3P；Tris(4-tert-butyl-1-propan-2-ylimidazol-2-yl)phosphane
• CAS: 160986-00-5
• 化学式: C₃₀H₅₁N₆P
• 分子量: 526.749
• InChiKey: WOHITRDKVNUGAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tris[2-(1-isopropyl-4-tert-butylimidazolyl)]phosphine 以 二氯甲烷 为溶剂， 生成 (tris[2-(1-iisopropyl-4-tert-butylimidazolyl)]phosphine)carbonylcopper(I) tetrafluoroborate
  参考文献：
  名称：

  Sorrell, Thomas N.; Allen, William E.; White, Peter S., Inorganic Chemistry, 1995, vol. 34, # 4, p. 952 - 960

  摘要：

  DOI：

文献信息

• The synthesis and structure of {[PimPri,But ]ZnOH}(ClO4): a tris(imidazolyl)phosphine zinc hydroxide complex and a proposed structural model for carbonic anhydrase
  作者：Clare Kimblin、William E. Allen、Gerard Parkin

  DOI：10.1039/c39950001813

  日期：——

  The zinc hydroxide complex [Pimpri,But]ZnOH}(ClO4) is synthesized by the reaction of [Pimpri,But] with Zn(ClO4)2·6H2O; [Pimpri,But]ZnOH}(ClO4) is the first structurally characterized monomeric zinc hydroxide complex supported by imidazole functionalities and is therefore an excellent structural model for the active site of carbonic anhydrase.

  通过[Pim pr i，Bu t ]与Zn（ClO 4）2 ·6H 2 O反应合成氢氧化锌配合物[Pim pr i，Bu t ] ZnOH}（ClO 4）；[Pim pr i，Bu t ] ZnOH}（ClO 4）是咪唑官能团支持的第一个结构表征的单体氢氧化锌配合物，因此是碳酸酐酶活性位点的出色结构模型。
• Structural Studies of the [Tris(imidazolyl)phosphine]metal Nitrate Complexes {[Pim^Pr^ⁱ^,Bu^{^t}]M(NO₃)}⁺ (M = Co, Cu, Zn, Cd, Hg):  Comparison of Nitrate-Binding Modes in Synthetic Analogues of Carbonic Anhydrase
  作者：Clare Kimblin、Vincent J. Murphy、Tony Hascall、Brian M. Bridgewater、Jeffrey B. Bonanno、Gerard Parkin

  DOI：10.1021/ic990682v

  日期：2000.3.1

  metal nitrate complexes supported by the tris(1-isopropyl-4-tert-butylimidazolyl)phosphine ligand, [[PimPri,But]M(NO3)]+ (M = Co, Cu, Zn, Cd, Hg), demonstrate that the nitrate ligand coordination mode is strongly dependent upon the metal. With the exception of that for the HgII derivative, the nitrate ligand coordination modes correlate with the activities of metal-substituted carbonic anhydrases, such

  三（1-异丙基-4-叔丁基咪唑基）膦配体[[PimPri，But] M（NO3）] +（M = Co，Cu ，Zn，Cd，Hg）表明硝酸盐配体配位模式强烈依赖于金属。除了对于HgII衍生物而言，硝酸盐配体配位模式与金属取代的碳酸酐酶的活性相关，因此，只有MII碳酸酐酶具有显着的活性，即Zn和Co物种才具有[[PimPri，But] M（ ）] +配合物具有强烈的不对称硝酸盐配体。这种趋势支持这样的观点，即对于碳酸酐酶活性的显着提高，获得单一的碳酸氢盐中间体而不是双齿的碳酸氢盐中间体至关重要。有趣的是，在第12组配合物系列中的硝酸盐配位模式[[PimPri，But] M（ ）] +（M = Zn，Cd，Hg）并没有显示出单调的周期性趋势：镉配合物比锌或汞配合物都要好。由于HgII-碳酸酐酶是无活性的，因此硝酸盐配位模式与酶活性之间的相关性对于汞络合物而言是异常的。因此，建议HgII-
• Tris(imidazolyl)phosphine cobalt complexes: structural comparisons with isoelectronic tris(pyrazolyl)hydroborato analogues
  作者：Clare Kimblin、Vincent J. Murphy、Gerard Parkin

  DOI：10.1039/cc9960000235

  日期：——

  The cobalt complexes [PimPri,But]CoI}I and [PimPri,But]Co(NO3)}NO3 are synthesized by the reaction of the sterically demanding tris[2-(1-isopropyl-4-tert-butylimidazolyl)]phosphine [PimPri,But] with CoI2 and Co(NO3)2, respectively; comparison of the structures of [PimPri,But]M(NO3)}+(M = Co, Zn) with those of the structurally analogous, but neutral, tris(3-tert-butylpyrazolyl)hydroborato complexes [TpBut]M(NO3) illustrates that the charged complexes have a greater tendency to adopt bidentate coordination of the nitrate ligand.

  钴配合物[PimPri,But]CoI}I和[PimPri,But]Co(NO3)} 分别由空间位阻大的三[2-(1-异丙基-4-叔丁基咪唑基)]膦[PimPri,But]与CoI2和Co( )2反应合成；将[PimPri,But]M( )}+(M = Co, Zn)与结构类似但中性的三(3-叔丁基吡唑基)硼氢化物配合物[TpBut]M( )的结构进行比较，可以发现带电的配合物更倾向于采用双齿配位硝酸盐配体。
• Synthesis, characterisation and catalytic behaviour of a novel class of chromium(<scp>iii</scp>) and vanadium(<scp>iii</scp>) complexes containing bi- and tri-dentate imidazole chelating ligands: a comparative study
  作者：Thomas Rüther、Kingsley J. Cavell、Nathalie C. Braussaud、Brian. W. Skelton、Allan H. White

  DOI：10.1039/b207248c

  日期：——

  The syntheses and characterisation of tri- and bi-dentate coordinated chromium(III) and vanadium(III) complexes of the general composition [MCl3(N<^>D<^>N)], [MCl3(N<^>N)](2) M = Cr, (N<^>D<^>N) = (mim)(3)COCH3 2a [mim = 1-methylimidazolyl], (mim)(2)CHCH2PPh2 2b, (mim)(2) CHCH2C(O)But 2c, (tBupim)(3)P 2d [tBupim = 1-isopropyl-4-tert-butylimidazolyl], (N<^>N) = (mim)(2)CH2 3e, (mim)(2)CH2PPh2 3f, (mim)(2)CO 3g, (Bzmim)(2)CO 3h [Bzmim = 1-methybenzimidazolyl], (tBupim)(2)CO 3i, (mim)(2)C=NPh 3j; M = V: (N<^>D<^>N) = (mim)(3)COCH3 5a; (N<^>N) = (mim)(2)CO 5g}, [CrCl3(mim)(3)] 4k, and [CrCl3(MeTAM)](6) (MeTAM = 1-methyltriacetylmethane) is described. Crystallisation of 3g from CH3CN/Et2O gave the mononuclear complex [CrCl3(mim)(2)CO}(CH3CN)] 3g'. The molecular structure of 3g' shows the chromium atom is quasi-octahedral, six-coordinate, the three coordinated chlorine atoms disposed mer in the coordination sphere. The electronic spectra of the chromium complexes exhibit d-d transitions typical of a pseudo-octahedral coordinated d(3) ion, falling into the region nu(1) 4A(2g) --> T-4(2g) 600-700 nm and nu(2) (4)A(2g) --> T-4(1g) (F) 430-470 nm, and 10Dq values between 14 400 and 16 700 cm(-1). In the presence of MMAO the complexes give active catalyst systems for the conversion of ethylene into 1-alkenes or polymers, with activities and selectivities depending on the electronic and steric factors of the ligand system and the metal centre, respectively.
• Kimblin, Clare; Parkin, Gerard, Inorganic Chemistry, 1996, vol. 35, # 24, p. 6912 - 6913
  作者：Kimblin, Clare、Parkin, Gerard

  DOI：——

  日期：——